CID 24847108

1,3,8-triazaspiro(4.5)decan-4-one, 3-methyl-1-phenyl-8-(4-phenylbut-3-ynyl)-

Structural Information

Molecular Formula
C24H27N3O
SMILES
CN1CN(C2(C1=O)CCN(CC2)CCC#CC3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C24H27N3O/c1-25-20-27(22-13-6-3-7-14-22)24(23(25)28)15-18-26(19-16-24)17-9-8-12-21-10-4-2-5-11-21/h2-7,10-11,13-14H,9,15-20H2,1H3
InChIKey
VSSWKFGSRYTPFO-UHFFFAOYSA-N
Compound name
3-methyl-1-phenyl-8-(4-phenylbut-3-ynyl)-1,3,8-triazaspiro[4.5]decan-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

373.21542 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 374.22270 193.0
[M+Na]+ 396.20464 200.9
[M-H]- 372.20814 195.6
[M+NH4]+ 391.24924 202.3
[M+K]+ 412.17858 189.2
[M+H-H2O]+ 356.21268 174.4
[M+HCOO]- 418.21362 201.1
[M+CH3COO]- 432.22927 198.7
[M+Na-2H]- 394.19009 190.4
[M]+ 373.21487 181.8
[M]- 373.21597 181.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.